4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol

C21H15N5O — CID 86766665

IUPAC4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol
SMILESOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C21H15N5O/c27-15-7-4-13(5-8-15)14-6-9-18-16(10-14)21(23-12-22-18)25-19-2-1-3-20-17(19)11-24-26-20/h1-12,27H,(H,24,26)(H,22,23,25)
InChIKeyZZGSXADLHBGZJI-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.62
Rot. Bonds3

About 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol

4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol (PubChem CID 86766665) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol.

Molecular Properties

Compound Name4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol
PubChem CID86766665
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol
SMILESOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C21H15N5O/c27-15-7-4-13(5-8-15)14-6-9-18-16(10-14)21(23-12-22-18)25-19-2-1-3-20-17(19)11-24-26-20/h1-12,27H,(H,24,26)(H,22,23,25)
InChIKeyZZGSXADLHBGZJI-UHFFFAOYSA-N
XLogP4.62
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol?
The IUPAC name of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol (CID 86766665) is 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol.
What is the SMILES notation for 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol?
The canonical SMILES for 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol is Oc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1.
What is the InChIKey of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol?
The InChIKey is ZZGSXADLHBGZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O/c27-15-7-4-13(5-8-15)14-6-9-18-16(10-14)21(23-12-22-18)25-19-2-1-3-20-17(19)11-24-26-20/h1-12,27H,(H,24,26)(H,22,23,25).
What are the key properties of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol?
4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol has a molecular weight of 353.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol is sourced from PubChem (CID 86766665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).